SCHEMBL7445758

SCHEMBL7445758

CCCN(CCC)C1CCc2cc3[nH]cc(C=O)c3cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 15/20 0.62
HTR1B P28222 14/20 0.62
HTR1A P08908 1/20 0.62
FYN P06241 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7443429 0.92 HTR1D (0.53) HTR1DHTR1BHTR1AFYN
SCHEMBL9058922 0.82 HTR1D (0.45) HTR1DHTR1BHTR1A
SCHEMBL7445106 0.80 HTR1D (0.57) HTR1DHTR1BHTR1AFYN
SCHEMBL7441409 0.78 HTR1D (0.57) HTR1DHTR1BHTR1A
SCHEMBL7445849 0.77 HTR1D (0.62) HTR1DHTR1BHTR1A
SCHEMBL7439653 0.77 HTR1B (0.46) HTR1DHTR1BHTR1AFYN
SCHEMBL7448912 0.76 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL7439194 0.76 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL8312369 0.76 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL7435180 0.72 HTR1D (0.62) HTR1DHTR1BHTR1AFYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690843-B1 Formyl- or cyano- substituted indole derivatives having dopaminergic activity UPJOHN CO (US) 2000-08-30 EP disclosed
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed